COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552614
Chemical Name: 3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-3-(4-hydroxy-3-methoxyphenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(methylsulfanyl
Smiles: CSCCC(c1onc(n1)C)NC(=O)CC(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(c(c1)OC)O

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Molecular Weight: 702.18
Empirical Formula: C33H36ClN3O10S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.612
Rotatable bonds: 14
H-donors: 3
H-acceptors: 10
PSA: 204
Number of rings: 5

     

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